arXiv Machine Learning
3d ago

Freeze, Diffuse, Decode: Geometry-Aware Adaptation of Pretrained Transformer Embeddings for Antimicrobial Peptide Design

arXiv:2511.23120v2 Announce Type: replace Abstract: Pretrained transformers provide rich, general-purpose embeddings, which are transferred to downstream tasks. However, current transfer strategies:...

By Pankhil Gawade, Adam Izdebski, Myriam Lizotte, Kevin R. Moon, Jake S. Rhodes, Guy Wolf, Ewa Szczurek
arXiv AI
Aug 11

Biologically Informed Representation Learning for Robust Cross-Center Generalization of MALDI-TOF Mass Spectrometry

arXiv:2608. 08182v1 Announce Type: cross Abstract: Machine learning models for MALDI-TOF mass spectrometry have shown considerable promise for clinical microbiology tasks such as microbial identification and antimicrobial resistance prediction.

By Alejandro L. Garc\'ia-Navarro, Carlos Sevilla-Salcedo, Bel\'en Rodr\'iguez-S\'anchez, Vanessa G\'omez-Verdejo
arXiv AI
3d ago

FLaG: Frequency-Domain Latent-attention Gated Pooling for Token Aggregation

FLaG (Frequency‑Domain Latent‑attention Gated Pooling) is a plug‑in token‑aggregation module that transforms encoder outputs into the Fourier domain, summarizes spectral tokens with learnable latent queries, applies a sample‑conditioned channel gate, and reconstructs modulated token representations for downstream pooling. The method is evaluated on antimicrobial peptide activity prediction, CIFAR‑10/100 image classification, and several RoBERTa language tasks, achieving state‑of‑the‑art performance on most metrics. Analyses show that FLaG emphasizes low‑frequency components while selectively amplifying high‑frequency signals in later layers, providing a transferable frequency‑domain bias across protein, visual, and textual representations.

By Kewei Li, Rongying Zhang, Xueli Wang, Xiwen Gong, Zhongjian Wang, Qiuchen Zhao, Lan Huang, Ruochi Zhang, Fengfeng Zhou
arXiv Machine Learning
Jun 25

OmegAMP: Targeted AMP Discovery via Biologically Informed Generation

arXiv:2504. 17247v3 Announce Type: replace Abstract: Deep learning-based antimicrobial peptide (AMP) discovery faces critical challenges such as limited controllability, lack of representations that efficiently model antimicrobial properties, and low experimental hit rates.

By Diogo Soares, Leon Hetzel, Paulina Szymczak, Marcelo Der Torossian Torres, Johanna Sommer, Cesar de la Fuente-Nunez, Fabian Theis, Stephan G\"unnemann, Ewa Szczurek